N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzamide;N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzamide;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone

C81H93IN14O10Si2 — CID 160529452

IUPACN,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzamide;N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzamide;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCN(C)C(=O)c1cccc(-c2[nH]nc3ncc(-c4cccc(C(=O)N5CCOCC5)c4)cc23)c1.CN(C)C(=O)c1cccc(-c2nn(COCC[Si](C)(C)C)c3ncc(-c4cccc(C(=O)N5CCOCC5)c4)cc23)c1.C[Si](C)(C)CCOCn1nc(I)c2cc(-c3cccc(C(=O)N4CCOCC4)c3)cnc21
InChIInChI=1S/C32H39N5O4Si.C26H25N5O3.C23H29IN4O3Si/c1-35(2)31(38)25-10-7-9-24(19-25)29-28-20-27(21-33-30(28)37(34-29)22-41-16-17-42(3,4)5)23-8-6-11-26(18-23)32(39)36-12-14-40-15-13-36;1-30(2)25(32)19-7-4-6-18(14-19)23-22-15-21(16-27-24(22)29-28-23)17-5-3-8-20(13-17)26(33)31-9-11-34-12-10-31;1-32(2,3)12-11-31-16-28-22-20(21(24)26-28)14-19(15-25-22)17-5-4-6-18(13-17)23(29)27-7-9-30-10-8-27/h6-11,18-21H,12-17,22H2,1-5H3;3-8,13-16H,9-12H2,1-2H3,(H,27,28,29);4-6,13-15H,7-12,16H2,1-3H3
InChIKeyQVINUWTXZJBPMC-UHFFFAOYSA-N
MW1605.80 g/mol
LogP13.21
Rot. Bonds20

About N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzamide;N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzamide;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone

N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzamide;N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzamide;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 160529452) has the molecular formula C81H93IN14O10Si2 and a molecular weight of 1605.80 g/mol. Its IUPAC name is N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzamide;N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzamide;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound NameN,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzamide;N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzamide;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID160529452
Molecular FormulaC81H93IN14O10Si2
Molecular Weight1605.80 g/mol
Exact Mass1604.58
IUPAC NameN,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzamide;N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzamide;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCN(C)C(=O)c1cccc(-c2[nH]nc3ncc(-c4cccc(C(=O)N5CCOCC5)c4)cc23)c1.CN(C)C(=O)c1cccc(-c2nn(COCC[Si](C)(C)C)c3ncc(-c4cccc(C(=O)N5CCOCC5)c4)cc23)c1.C[Si](C)(C)CCOCn1nc(I)c2cc(-c3cccc(C(=O)N4CCOCC4)c3)cnc21
InChIInChI=1S/C32H39N5O4Si.C26H25N5O3.C23H29IN4O3Si/c1-35(2)31(38)25-10-7-9-24(19-25)29-28-20-27(21-33-30(28)37(34-29)22-41-16-17-42(3,4)5)23-8-6-11-26(18-23)32(39)36-12-14-40-15-13-36;1-30(2)25(32)19-7-4-6-18(14-19)23-22-15-21(16-27-24(22)29-28-23)17-5-3-8-20(13-17)26(33)31-9-11-34-12-10-31;1-32(2,3)12-11-31-16-28-22-20(21(24)26-28)14-19(15-25-22)17-5-4-6-18(13-17)23(29)27-7-9-30-10-8-27/h6-11,18-21H,12-17,22H2,1-5H3;3-8,13-16H,9-12H2,1-2H3,(H,27,28,29);4-6,13-15H,7-12,16H2,1-3H3
InChIKeyQVINUWTXZJBPMC-UHFFFAOYSA-N
XLogP13.21
TPSA250.69 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001605.80
LogP ≤ 513.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzamide;N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzamide;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzamide;N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzamide;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzamide;N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzamide;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone (CID 160529452) is N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzamide;N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzamide;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzamide;N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzamide;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzamide;N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzamide;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone is CN(C)C(=O)c1cccc(-c2[nH]nc3ncc(-c4cccc(C(=O)N5CCOCC5)c4)cc23)c1.CN(C)C(=O)c1cccc(-c2nn(COCC[Si](C)(C)C)c3ncc(-c4cccc(C(=O)N5CCOCC5)c4)cc23)c1.C[Si](C)(C)CCOCn1nc(I)c2cc(-c3cccc(C(=O)N4CCOCC4)c3)cnc21.
What is the InChIKey of N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzamide;N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzamide;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is QVINUWTXZJBPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O4Si.C26H25N5O3.C23H29IN4O3Si/c1-35(2)31(38)25-10-7-9-24(19-25)29-28-20-27(21-33-30(28)37(34-29)22-41-16-17-42(3,4)5)23-8-6-11-26(18-23)32(39)36-12-14-40-15-13-36;1-30(2)25(32)19-7-4-6-18(14-19)23-22-15-21(16-27-24(22)29-28-23)17-5-3-8-20(13-17)26(33)31-9-11-34-12-10-31;1-32(2,3)12-11-31-16-28-22-20(21(24)26-28)14-19(15-25-22)17-5-4-6-18(13-17)23(29)27-7-9-30-10-8-27/h6-11,18-21H,12-17,22H2,1-5H3;3-8,13-16H,9-12H2,1-2H3,(H,27,28,29);4-6,13-15H,7-12,16H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzamide;N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzamide;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzamide;N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzamide;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 1605.80 g/mol, XLogP of 13.21, 20 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzamide;N,N-dimethyl-3-[5-[3-(morpholine-4-carbonyl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzamide;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 160529452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).